2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

C22H23N5O2 — CID 70300494

IUPAC2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2ccc(-c3cccc(N)c3)nc2)n1
InChIInChI=1S/C22H23N5O2/c1-14(2)26-22(29)20-8-4-7-19(27-20)21(28)25-13-15-9-10-18(24-12-15)16-5-3-6-17(23)11-16/h3-12,14H,13,23H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQRKWTXPTHGKROO-UHFFFAOYSA-N
MW389.46 g/mol
LogP2.79
Rot. Bonds6

About 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide

2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (PubChem CID 70300494) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
PubChem CID70300494
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(C(=O)NCc2ccc(-c3cccc(N)c3)nc2)n1
InChIInChI=1S/C22H23N5O2/c1-14(2)26-22(29)20-8-4-7-19(27-20)21(28)25-13-15-9-10-18(24-12-15)16-5-3-6-17(23)11-16/h3-12,14H,13,23H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyQRKWTXPTHGKROO-UHFFFAOYSA-N
XLogP2.79
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[[3-(3-aminophenyl)phenyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70304756
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
2-N-[(4-fluorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093645
difluoromethane;N-[[6-(3-fluorophenyl)-3-pyridinyl]methyl]-6-formylpyridine-2-carboxamide;N-methylpropan-2-amine
CID 143716185
2-N-[[1-(5-amino-3-pyridinyl)pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 70303037
2-N-[[1-[4-(aminomethyl)phenyl]pyrazol-4-yl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 59406350
2-N-[(5-methylpyrazin-2-yl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25023988
6-N-propan-2-yl-2-N-(1,3-thiazol-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 25024354
3-[5-(acetamidomethyl)-2-pyridinyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 125179850
methyl (2S)-2-[[6-[(2-amino-1,3-benzothiazol-6-yl)methylcarbamoyl]pyridine-2-carbonyl]amino]propanoate
CID 59406291
4-amino-5-cyano-6-ethoxy-N-[[6-[3-(methylcarbamoyl)phenyl]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 66920815
2-N-[(2-chlorophenyl)methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093646

Frequently Asked Questions

What is the IUPAC name of 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide (CID 70300494) is 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is CC(C)NC(=O)c1cccc(C(=O)NCc2ccc(-c3cccc(N)c3)nc2)n1.
What is the InChIKey of 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
The InChIKey is QRKWTXPTHGKROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14(2)26-22(29)20-8-4-7-19(27-20)21(28)25-13-15-9-10-18(24-12-15)16-5-3-6-17(23)11-16/h3-12,14H,13,23H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide?
2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[[6-(3-aminophenyl)-3-pyridinyl]methyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 70300494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).