6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

C19H26N8O3 — CID 118611250

IUPAC6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4nc[nH]c4C3)ncn2)C1
InChIInChI=1S/C19H26N8O3/c1-12(28)27-6-13(7-27)25-18-4-16(22-11-24-18)19(30)20-5-14(29)8-26-3-2-15-17(9-26)23-10-21-15/h4,10-11,13-14,29H,2-3,5-9H2,1H3,(H,20,30)(H,21,23)(H,22,24,25)/t14-/m0/s1
InChIKeyHEECPGLOBIDKDN-AWEZNQCLSA-N
MW414.47 g/mol
LogP-1.01
Rot. Bonds7

About 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 118611250) has the molecular formula C19H26N8O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
PubChem CID118611250
Molecular FormulaC19H26N8O3
Molecular Weight414.47 g/mol
Exact Mass414.21
IUPAC Name6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4nc[nH]c4C3)ncn2)C1
InChIInChI=1S/C19H26N8O3/c1-12(28)27-6-13(7-27)25-18-4-16(22-11-24-18)19(30)20-5-14(29)8-26-3-2-15-17(9-26)23-10-21-15/h4,10-11,13-14,29H,2-3,5-9H2,1H3,(H,20,30)(H,21,23)(H,22,24,25)/t14-/m0/s1
InChIKeyHEECPGLOBIDKDN-AWEZNQCLSA-N
XLogP-1.01
TPSA139.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 5-1.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611252
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611184
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 130268085
N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 130267611
6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118611143
6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
CID 118611204
6-[(1-acetylpiperidin-4-yl)amino]-N-[2-hydroxy-3-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
CID 123608891
6-[(1-acetylazetidin-3-yl)amino]-N-[2-hydroxy-3-[5-methyl-6-(1,3-oxazol-5-ylmethoxy)-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166672225
6-[(1-butanoylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,5,6-tetrahydro-1H-isoquinolin-2-yl)propyl]pyrimidine-4-carboxamide
CID 139297417
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 123198420
N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611090
N-[2-hydroxy-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611302

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (CID 118611250) is 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is CC(=O)N1CC(Nc2cc(C(=O)NC[C@H](O)CN3CCc4nc[nH]c4C3)ncn2)C1.
What is the InChIKey of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
The InChIKey is HEECPGLOBIDKDN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N8O3/c1-12(28)27-6-13(7-27)25-18-4-16(22-11-24-18)19(30)20-5-14(29)8-26-3-2-15-17(9-26)23-10-21-15/h4,10-11,13-14,29H,2-3,5-9H2,1H3,(H,20,30)(H,21,23)(H,22,24,25)/t14-/m0/s1.
What are the key properties of 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 414.47 g/mol, XLogP of -1.01, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylazetidin-3-yl)amino]-N-[(2S)-2-hydroxy-3-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118611250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).