N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen

C24H30N4O3 — CID 144792663

IUPACN-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen
SMILES[H]/N=C(\CC)c1ccc(-c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2C)nc1N.[H][H].[H][H]
InChIInChI=1S/C24H26N4O3.2H2/c1-5-21(25)19-8-9-22(28-23(19)26)20-12-16(7-6-14(20)2)27-24(29)15-10-17(30-3)13-18(11-15)31-4;;/h6-13,25H,5H2,1-4H3,(H2,26,28)(H,27,29);2*1H/b25-21+;;
InChIKeyLZEIBTNEOZGFMF-WPUCSEBPSA-N
MW422.53 g/mol
LogP5.18
Rot. Bonds7

About N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen

N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen (PubChem CID 144792663) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen.

Molecular Properties

Compound NameN-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen
PubChem CID144792663
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC NameN-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen
SMILES[H]/N=C(\CC)c1ccc(-c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2C)nc1N.[H][H].[H][H]
InChIInChI=1S/C24H26N4O3.2H2/c1-5-21(25)19-8-9-22(28-23(19)26)20-12-16(7-6-14(20)2)27-24(29)15-10-17(30-3)13-18(11-15)31-4;;/h6-13,25H,5H2,1-4H3,(H2,26,28)(H,27,29);2*1H/b25-21+;;
InChIKeyLZEIBTNEOZGFMF-WPUCSEBPSA-N
XLogP5.18
TPSA110.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[5-ethanimidoyl-6-[(4-methoxyphenyl)methylamino]-2-pyridinyl]-4-methylphenyl]-3,5-dimethoxybenzamide
CID 144792650
N-(3-amino-4-methylphenyl)-3,5-dimethoxybenzamide
CID 24709261
N-[3-[3-[1-[tert-butyl(dimethyl)silyl]oxycyclopropyl]-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylphenyl]-3,5-dimethoxybenzamide
CID 123927406
7-carbamimidoyl-N-(3,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 10291466
3,5-dimethoxy-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 46424516
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-3,5-dimethoxybenzamide
CID 28865073
6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine
CID 166774545
3-amino-N-(2,3-difluoro-4-methylphenyl)-4-propanimidoylbenzamide
CID 123415449
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
6-(5-amino-2-methylphenyl)-3-(2,2-dimethoxyethanimidoyl)pyridin-2-amine
CID 144792621
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3,5-dimethoxybenzamide
CID 3127993

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen?
The IUPAC name of N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen (CID 144792663) is N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen.
What is the SMILES notation for N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen?
The canonical SMILES for N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen is [H]/N=C(\CC)c1ccc(-c2cc(NC(=O)c3cc(OC)cc(OC)c3)ccc2C)nc1N.[H][H].[H][H].
What is the InChIKey of N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen?
The InChIKey is LZEIBTNEOZGFMF-WPUCSEBPSA-N. The full InChI is InChI=1S/C24H26N4O3.2H2/c1-5-21(25)19-8-9-22(28-23(19)26)20-12-16(7-6-14(20)2)27-24(29)15-10-17(30-3)13-18(11-15)31-4;;/h6-13,25H,5H2,1-4H3,(H2,26,28)(H,27,29);2*1H/b25-21+;;.
What are the key properties of N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen?
N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen has a molecular weight of 422.53 g/mol, XLogP of 5.18, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-amino-5-propanimidoyl-2-pyridinyl)-4-methylphenyl]-3,5-dimethoxybenzamide;molecular hydrogen is sourced from PubChem (CID 144792663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).