N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide

C23H29N3O4 — CID 59736028

IUPACN-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide
SMILESCC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1
InChIInChI=1S/C23H29N3O4/c1-14(2)13-29-19-9-17(10-20(11-19)30-15(3)4)23(28)26-21-8-7-18(12-24-21)25-22(27)16-5-6-16/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,27)(H,24,26,28)
InChIKeyPRNFLXISOPFTTA-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.50
Rot. Bonds9

About N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide

N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide (PubChem CID 59736028) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide
PubChem CID59736028
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide
SMILESCC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1
InChIInChI=1S/C23H29N3O4/c1-14(2)13-29-19-9-17(10-20(11-19)30-15(3)4)23(28)26-21-8-7-18(12-24-21)25-22(27)16-5-6-16/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,27)(H,24,26,28)
InChIKeyPRNFLXISOPFTTA-UHFFFAOYSA-N
XLogP4.50
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-acetylsulfinyl-6-[[3-(2-methylpropoxy)-5-propan-2-yloxybenzoyl]amino]pyridine-3-carboxamide
CID 142213553
N-[6-(cyclopropanecarbonylamino)-3-pyridinyl]-3-methoxybenzamide
CID 1452890
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-(6-benzamido-3-pyridinyl)piperidine-4-carboxamide
CID 119893870
N-[6-(2-methoxyethylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113010317
6-[(3-methyl-5-propan-2-yloxybenzoyl)amino]pyridine-3-carboxylic acid
CID 142197580
N-[6-(propylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 113009028
3-methoxy-N-[5-(4-propan-2-yloxyanilino)-2-pyridinyl]benzamide
CID 113034569
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
N-[6-(3-methylbutylamino)-3-pyridinyl]cyclohexanecarboxamide
CID 113015064
2-(2-methylpropoxy)-6-propan-2-yloxy-N-(5-prop-1-en-2-yl-2-pyridinyl)pyridine-4-carboxamide
CID 143828066
3-(2-methylpropoxy)-N-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]-5-propan-2-yloxybenzamide
CID 59735852

Frequently Asked Questions

What is the IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide?
The IUPAC name of N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide (CID 59736028) is N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide.
What is the SMILES notation for N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide?
The canonical SMILES for N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide is CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1.
What is the InChIKey of N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide?
The InChIKey is PRNFLXISOPFTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-14(2)13-29-19-9-17(10-20(11-19)30-15(3)4)23(28)26-21-8-7-18(12-24-21)25-22(27)16-5-6-16/h7-12,14-16H,5-6,13H2,1-4H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide?
N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide has a molecular weight of 411.50 g/mol, XLogP of 4.50, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(cyclopropanecarbonylamino)-2-pyridinyl]-3-(2-methylpropoxy)-5-propan-2-yloxybenzamide is sourced from PubChem (CID 59736028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).