4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C18H23N7O — CID 70892125

IUPAC4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESNC1(C(=O)NCc2ccncc2)CCN(c2ncnc3c2CCN3)CC1
InChIInChI=1S/C18H23N7O/c19-18(17(26)22-11-13-1-6-20-7-2-13)4-9-25(10-5-18)16-14-3-8-21-15(14)23-12-24-16/h1-2,6-7,12H,3-5,8-11,19H2,(H,22,26)(H,21,23,24)
InChIKeyAXWMXWHKEDIALZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP0.45
Rot. Bonds4

About 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 70892125) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID70892125
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESNC1(C(=O)NCc2ccncc2)CCN(c2ncnc3c2CCN3)CC1
InChIInChI=1S/C18H23N7O/c19-18(17(26)22-11-13-1-6-20-7-2-13)4-9-25(10-5-18)16-14-3-8-21-15(14)23-12-24-16/h1-2,6-7,12H,3-5,8-11,19H2,(H,22,26)(H,21,23,24)
InChIKeyAXWMXWHKEDIALZ-UHFFFAOYSA-N
XLogP0.45
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-(aminomethyl)-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-[(5-methylthiophen-2-yl)methyl]piperidine-4-carboxamide
CID 70892121
4-amino-N-[(4-fluorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141814
4-amino-N-[(4-methylphenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;ethanol
CID 142286757
4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;ethane;ethanol
CID 178015306
4-piperazin-1-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
CID 87437222
4-amino-N-[(3-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45141812
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
1,2-dimethyl-N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 91273952
N-[4-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119886989
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
4-amino-N-[(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 71089180

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 70892125) is 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is NC1(C(=O)NCc2ccncc2)CCN(c2ncnc3c2CCN3)CC1.
What is the InChIKey of 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is AXWMXWHKEDIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c19-18(17(26)22-11-13-1-6-20-7-2-13)4-9-25(10-5-18)16-14-3-8-21-15(14)23-12-24-16/h1-2,6-7,12H,3-5,8-11,19H2,(H,22,26)(H,21,23,24).
What are the key properties of 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 70892125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).