6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide

C21H29N7O2 — CID 46917960

IUPAC6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CCCCNC(=O)NCc2ccc(N)nc2)nc1NC1CC1
InChIInChI=1S/C21H29N7O2/c1-23-20(29)17-9-8-15(27-19(17)28-16-6-7-16)4-2-3-11-24-21(30)26-13-14-5-10-18(22)25-12-14/h5,8-10,12,16H,2-4,6-7,11,13H2,1H3,(H2,22,25)(H,23,29)(H,27,28)(H2,24,26,30)
InChIKeyPZNHTMBQGLGBCI-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.81
Rot. Bonds10

About 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide (PubChem CID 46917960) has the molecular formula C21H29N7O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
PubChem CID46917960
Molecular FormulaC21H29N7O2
Molecular Weight411.51 g/mol
Exact Mass411.24
IUPAC Name6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(CCCCNC(=O)NCc2ccc(N)nc2)nc1NC1CC1
InChIInChI=1S/C21H29N7O2/c1-23-20(29)17-9-8-15(27-19(17)28-16-6-7-16)4-2-3-11-24-21(30)26-13-14-5-10-18(22)25-12-14/h5,8-10,12,16H,2-4,6-7,11,13H2,1H3,(H2,22,25)(H,23,29)(H,27,28)(H2,24,26,30)
InChIKeyPZNHTMBQGLGBCI-UHFFFAOYSA-N
XLogP1.81
TPSA134.06 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-anilino-N-methylpyridine-3-carboxamide
CID 46917678
2-(ethylamino)-6-[4-[(5-fluoro-3-pyridinyl)methylcarbamoylamino]butyl]-N-methylpyridine-3-carboxamide
CID 46917894
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]-2-methylbutan-2-yl]-N-methyl-2-prop-1-en-2-ylpyridine-3-carboxamide
CID 91226747
tert-butyl N-[5-[[4-[5-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylcarbamoyl]-6-methyl-2-pyridinyl]butylcarbamoylamino]methyl]-2-pyridinyl]carbamate
CID 91198051
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 84573928
2-(butylamino)-N-[[6-(4-cyanophenyl)-3-pyridinyl]methyl]-4-(cyclohexylamino)pyrimidine-5-carboxamide
CID 144944316
6-amino-N-[2-[11-[4-(methylamino)phenyl]undecanoylamino]ethyl]pyridine-3-carboxamide
CID 143014726
5-[[(5-amino-5-oxopentyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 106238714
1-[(6-amino-3-pyridinyl)methyl]-3-(4-bromophenyl)urea
CID 134813904
6-[4-[[(6-amino-3-pyridinyl)methylamino]methylamino]cyclohexyl]-2-anilino-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 90885856
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 55152846

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide (CID 46917960) is 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(CCCCNC(=O)NCc2ccc(N)nc2)nc1NC1CC1.
What is the InChIKey of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
The InChIKey is PZNHTMBQGLGBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O2/c1-23-20(29)17-9-8-15(27-19(17)28-16-6-7-16)4-2-3-11-24-21(30)26-13-14-5-10-18(22)25-12-14/h5,8-10,12,16H,2-4,6-7,11,13H2,1H3,(H2,22,25)(H,23,29)(H,27,28)(H2,24,26,30).
What are the key properties of 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide?
6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide has a molecular weight of 411.51 g/mol, XLogP of 1.81, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(6-amino-3-pyridinyl)methylcarbamoylamino]butyl]-2-(cyclopropylamino)-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 46917960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).