formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide

C19H23N7O4 — CID 163333701

IUPACformic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@@H]1CN(c2ncnc3nc[nH]c23)CC[C@@H]1O.O=CO
InChIInChI=1S/C18H21N7O2.CH2O2/c26-14-5-7-25(18-16-17(21-10-20-16)22-11-23-18)9-13(14)24-15(27)4-3-12-2-1-6-19-8-12;2-1-3/h1-2,6,8,10-11,13-14,26H,3-5,7,9H2,(H,24,27)(H,20,21,22,23);1H,(H,2,3)/t13-,14+;/m1./s1
InChIKeyIQTXMMWARMZHIT-DFQHDRSWSA-N
MW413.44 g/mol
LogP0.14
Rot. Bonds5

About formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide

formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide (PubChem CID 163333701) has the molecular formula C19H23N7O4 and a molecular weight of 413.44 g/mol. Its IUPAC name is formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound Nameformic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide
PubChem CID163333701
Molecular FormulaC19H23N7O4
Molecular Weight413.44 g/mol
Exact Mass413.18
IUPAC Nameformic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)N[C@@H]1CN(c2ncnc3nc[nH]c23)CC[C@@H]1O.O=CO
InChIInChI=1S/C18H21N7O2.CH2O2/c26-14-5-7-25(18-16-17(21-10-20-16)22-11-23-18)9-13(14)24-15(27)4-3-12-2-1-6-19-8-12;2-1-3/h1-2,6,8,10-11,13-14,26H,3-5,7,9H2,(H,24,27)(H,20,21,22,23);1H,(H,2,3)/t13-,14+;/m1./s1
InChIKeyIQTXMMWARMZHIT-DFQHDRSWSA-N
XLogP0.14
TPSA157.22 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.44
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97212210
N-[2-(aminomethyl)cyclohexyl]-3-pyridin-3-ylpropanamide
CID 81483186
2-(3-pyridin-3-ylpropanoylamino)cyclopentane-1-carboxamide
CID 71989741
N-[(3R,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyridin-3-ylpropanamide
CID 154822153
2,3-dihydroindol-1-yl-[1-(7H-purin-6-yl)pyrrolidin-3-yl]methanone
CID 172903825
N-(4-hydroxycyclohexyl)-4-pyridin-3-ylbutanamide
CID 115277500
2,2,2-trifluoro-N-[4-(4-fluorophenyl)-1-(7H-purin-6-yl)piperidin-3-yl]acetamide
CID 133440250
6-(4-chloropiperidin-1-yl)-7H-purine
CID 63388487
(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 40920875
2-[4-(7H-purin-6-yl)piperazin-1-yl]pyridine-3-carboxamide
CID 134697631
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-pyridin-3-ylpropanamide
CID 103816944
N-[3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]pentanamide
CID 166331020

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide?
The IUPAC name of formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide (CID 163333701) is formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)N[C@@H]1CN(c2ncnc3nc[nH]c23)CC[C@@H]1O.O=CO.
What is the InChIKey of formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide?
The InChIKey is IQTXMMWARMZHIT-DFQHDRSWSA-N. The full InChI is InChI=1S/C18H21N7O2.CH2O2/c26-14-5-7-25(18-16-17(21-10-20-16)22-11-23-18)9-13(14)24-15(27)4-3-12-2-1-6-19-8-12;2-1-3/h1-2,6,8,10-11,13-14,26H,3-5,7,9H2,(H,24,27)(H,20,21,22,23);1H,(H,2,3)/t13-,14+;/m1./s1.
What are the key properties of formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide?
formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide has a molecular weight of 413.44 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(3R,4S)-4-hydroxy-1-(7H-purin-6-yl)piperidin-3-yl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 163333701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).