6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

C15H19ClN6O2 — CID 118611151

IUPAC6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
SMILESCn1cnc2c1CN(CC(O)CNC(=O)c1cc(Cl)ncn1)CC2
InChIInChI=1S/C15H19ClN6O2/c1-21-9-20-11-2-3-22(7-13(11)21)6-10(23)5-17-15(24)12-4-14(16)19-8-18-12/h4,8-10,23H,2-3,5-7H2,1H3,(H,17,24)
InChIKeyMESAUVPVZWORPU-UHFFFAOYSA-N
MW350.81 g/mol
LogP0.01
Rot. Bonds5

About 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide

6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 118611151) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
PubChem CID118611151
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide
SMILESCn1cnc2c1CN(CC(O)CNC(=O)c1cc(Cl)ncn1)CC2
InChIInChI=1S/C15H19ClN6O2/c1-21-9-20-11-2-3-22(7-13(11)21)6-10(23)5-17-15(24)12-4-14(16)19-8-18-12/h4,8-10,23H,2-3,5-7H2,1H3,(H,17,24)
InChIKeyMESAUVPVZWORPU-UHFFFAOYSA-N
XLogP0.01
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-N-[(2S)-3-(6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118611172
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
6-chloro-N-[2-hydroxy-3-[6-[(4-methyl-1,3-oxazol-5-yl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]propyl]pyrimidine-4-carboxamide
CID 166672275
potassium [6-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]pyrimidin-4-yl]azanide
CID 156884819
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(2-ethylsulfanylethylamino)pyrimidine-4-carboxamide
CID 118553952
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-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
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
[2-[(2R)-2-hydroxy-3-[(6-iodopyrimidine-4-carbonyl)amino]propyl]-3,4-dihydro-1H-isoquinolin-6-yl] hypoiodite
CID 163915575
N-[(2S)-3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 162012287
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 118553840
N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611090

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide (CID 118611151) is 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is Cn1cnc2c1CN(CC(O)CNC(=O)c1cc(Cl)ncn1)CC2.
What is the InChIKey of 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
The InChIKey is MESAUVPVZWORPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN6O2/c1-21-9-20-11-2-3-22(7-13(11)21)6-10(23)5-17-15(24)12-4-14(16)19-8-18-12/h4,8-10,23H,2-3,5-7H2,1H3,(H,17,24).
What are the key properties of 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide?
6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 350.81 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-hydroxy-3-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 118611151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).