N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

C21H26N4O3 — CID 95105589

IUPACN-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(O)c(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-28-18-5-6-19(26)15(10-18)12-22-17-8-9-25(13-17)20-7-2-14(11-23-20)21(27)24-16-3-4-16/h2,5-7,10-11,16-17,22,26H,3-4,8-9,12-13H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyOBCQKCYDWGDYFD-QGZVFWFLSA-N
MW382.46 g/mol
LogP2.06
Rot. Bonds7

About N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide

N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 95105589) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID95105589
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESCOc1ccc(O)c(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-28-18-5-6-19(26)15(10-18)12-22-17-8-9-25(13-17)20-7-2-14(11-23-20)21(27)24-16-3-4-16/h2,5-7,10-11,16-17,22,26H,3-4,8-9,12-13H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyOBCQKCYDWGDYFD-QGZVFWFLSA-N
XLogP2.06
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-6-[(3S)-3-[(2-hydroxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide
CID 95105620
2-[[(1-ethylpiperidin-3-yl)amino]methyl]-4-methoxyphenol
CID 61171148
2-[[(1-ethylpiperidin-4-yl)amino]methyl]-4-methoxyphenol
CID 54917281
N-cyclopropyl-6-[3-[(3-ethylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 44526663
4-methoxy-2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]phenol
CID 28717433
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-cyclopropyl-6-[4-[(4-fluoro-3-methylphenoxy)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 44526655
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxamide
CID 134414273
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489
N-[2-(4-methoxyphenyl)ethyl]-6-(3-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109159052
N-cycloheptyl-6-(2,4-dimethoxyanilino)pyridine-3-carboxamide
CID 109161067

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide (CID 95105589) is N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is COc1ccc(O)c(CN[C@@H]2CCN(c3ccc(C(=O)NC4CC4)cn3)C2)c1.
What is the InChIKey of N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is OBCQKCYDWGDYFD-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-18-5-6-19(26)15(10-18)12-22-17-8-9-25(13-17)20-7-2-14(11-23-20)21(27)24-16-3-4-16/h2,5-7,10-11,16-17,22,26H,3-4,8-9,12-13H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.06, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[(3R)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95105589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).