N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide

C27H28N6O — CID 121393220

IUPACN-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC1CCN(c2cc(Cc3cncc(C(=O)NCc4ccc5c(N)nccc5c4)c3)ccn2)C1
InChIInChI=1S/C27H28N6O/c1-18-6-9-33(17-18)25-13-19(4-7-30-25)10-21-12-23(16-29-14-21)27(34)32-15-20-2-3-24-22(11-20)5-8-31-26(24)28/h2-5,7-8,11-14,16,18H,6,9-10,15,17H2,1H3,(H2,28,31)(H,32,34)
InChIKeyBDDHAZOVAFLCQY-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.97
Rot. Bonds6

About N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide

N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 121393220) has the molecular formula C27H28N6O and a molecular weight of 452.56 g/mol. Its IUPAC name is N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID121393220
Molecular FormulaC27H28N6O
Molecular Weight452.56 g/mol
Exact Mass452.23
IUPAC NameN-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide
SMILESCC1CCN(c2cc(Cc3cncc(C(=O)NCc4ccc5c(N)nccc5c4)c3)ccn2)C1
InChIInChI=1S/C27H28N6O/c1-18-6-9-33(17-18)25-13-19(4-7-30-25)10-21-12-23(16-29-14-21)27(34)32-15-20-2-3-24-22(11-20)5-8-31-26(24)28/h2-5,7-8,11-14,16,18H,6,9-10,15,17H2,1H3,(H2,28,31)(H,32,34)
InChIKeyBDDHAZOVAFLCQY-UHFFFAOYSA-N
XLogP3.97
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[(1-aminoisoquinolin-6-yl)methyl]-1-[[2-[(3S)-3-methylpyrrolidin-1-yl]-4-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 86342887
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 121393210
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]pyridine-3-carboxamide
CID 121393176
N-[(1-aminoisoquinolin-6-yl)methyl]-5-(2-methoxyphenyl)pyridine-3-carboxamide;methane
CID 167652755
N-[(1-aminoisoquinolin-6-yl)methyl]-5-chloro-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyridine-3-carboxamide;methane
CID 167535597
2-methyl-N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-2-amine
CID 62282295
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-methylisoquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213018
N-[(1-aminoisoquinolin-6-yl)methyl]-6-benzyl-5-chloropyridine-3-carboxamide
CID 167585958
N-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]propan-1-amine
CID 55059346
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[2-(1-methylpiperidin-4-yl)ethyl]pyrazole-3-carboxamide
CID 165154186
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
6-[[4-[(1-aminoisoquinolin-6-yl)methylcarbamoyl]-2-pyridinyl]methyl]quinoline-2-carboxamide
CID 118665212

Frequently Asked Questions

What is the IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide (CID 121393220) is N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide is CC1CCN(c2cc(Cc3cncc(C(=O)NCc4ccc5c(N)nccc5c4)c3)ccn2)C1.
What is the InChIKey of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is BDDHAZOVAFLCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O/c1-18-6-9-33(17-18)25-13-19(4-7-30-25)10-21-12-23(16-29-14-21)27(34)32-15-20-2-3-24-22(11-20)5-8-31-26(24)28/h2-5,7-8,11-14,16,18H,6,9-10,15,17H2,1H3,(H2,28,31)(H,32,34).
What are the key properties of N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide?
N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-aminoisoquinolin-6-yl)methyl]-5-[[2-(3-methylpyrrolidin-1-yl)-4-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 121393220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).