6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide

C23H31N7O2 — CID 123753840

IUPAC6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NCC(N)CN3Cc4ccccc4C3)ncn2)CC1
InChIInChI=1S/C23H31N7O2/c1-16(31)30-8-6-20(7-9-30)28-22-10-21(26-15-27-22)23(32)25-11-19(24)14-29-12-17-4-2-3-5-18(17)13-29/h2-5,10,15,19-20H,6-9,11-14,24H2,1H3,(H,25,32)(H,26,27,28)
InChIKeyBYQWHZZJPBTQLZ-UHFFFAOYSA-N
MW437.55 g/mol
LogP0.97
Rot. Bonds7

About 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide

6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide (PubChem CID 123753840) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide
PubChem CID123753840
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide
SMILESCC(=O)N1CCC(Nc2cc(C(=O)NCC(N)CN3Cc4ccccc4C3)ncn2)CC1
InChIInChI=1S/C23H31N7O2/c1-16(31)30-8-6-20(7-9-30)28-22-10-21(26-15-27-22)23(32)25-11-19(24)14-29-12-17-4-2-3-5-18(17)13-29/h2-5,10,15,19-20H,6-9,11-14,24H2,1H3,(H,25,32)(H,26,27,28)
InChIKeyBYQWHZZJPBTQLZ-UHFFFAOYSA-N
XLogP0.97
TPSA116.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide with MolForge

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Related Compounds

6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(1,3-dihydroisoindol-2-yl)-2-piperazin-1-ylpropyl]pyrimidine-4-carboxamide
CID 123956845
6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-pyrrolidin-1-ylpropyl]pyrimidine-4-carboxamide
CID 118552589
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
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(1-propanoylpiperidin-4-yl)amino]pyrimidine-4-carboxamide
CID 118553927
6-[(1-acetylpiperidin-4-yl)amino]-N-(3-chloro-2-hydroxypropyl)pyrimidine-4-carboxamide
CID 166672161
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-chloro-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 162458328
6-[(1-acetylpiperidin-4-yl)amino]-N-[(2S)-3-(1,1-dimethyl-3,4-dihydroisoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553858
6-[(1-acetylpiperidin-4-yl)amino]-N-[3-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118611143
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(3-methylbutanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 118553956
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[1-(4-methyl-2-oxopentanoyl)piperidin-4-yl]amino]pyrimidine-4-carboxamide
CID 175138870
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 123198420
6-[(4-acetamidocyclohexyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553957

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide (CID 123753840) is 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide is CC(=O)N1CCC(Nc2cc(C(=O)NCC(N)CN3Cc4ccccc4C3)ncn2)CC1.
What is the InChIKey of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide?
The InChIKey is BYQWHZZJPBTQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-16(31)30-8-6-20(7-9-30)28-22-10-21(26-15-27-22)23(32)25-11-19(24)14-29-12-17-4-2-3-5-18(17)13-29/h2-5,10,15,19-20H,6-9,11-14,24H2,1H3,(H,25,32)(H,26,27,28).
What are the key properties of 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide?
6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpiperidin-4-yl)amino]-N-[2-amino-3-(1,3-dihydroisoindol-2-yl)propyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 123753840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).