N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide

C19H23N3O — CID 113032896

IUPACN-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C19H23N3O/c1-19(2,3)15-6-4-5-7-16(15)21-14-10-11-17(20-12-14)22-18(23)13-8-9-13/h4-7,10-13,21H,8-9H2,1-3H3,(H,20,22,23)
InChIKeyMXDLPNMESPLXHU-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.47
Rot. Bonds4

About N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide

N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 113032896) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
PubChem CID113032896
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide
SMILESCC(C)(C)c1ccccc1Nc1ccc(NC(=O)C2CC2)nc1
InChIInChI=1S/C19H23N3O/c1-19(2,3)15-6-4-5-7-16(15)21-14-10-11-17(20-12-14)22-18(23)13-8-9-13/h4-7,10-13,21H,8-9H2,1-3H3,(H,20,22,23)
InChIKeyMXDLPNMESPLXHU-UHFFFAOYSA-N
XLogP4.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(2-tert-butylanilino)-2-pyridinyl]-3-cyclopropylurea
CID 113032920
N-[5-[2-(trifluoromethyl)anilino]-2-pyridinyl]cyclohexanecarboxamide
CID 113034806
N-[6-(2-tert-butylanilino)pyridazin-3-yl]cyclobutanecarboxamide
CID 113047094
N-[5-(quinolin-8-ylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036290
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-cyclohexylurea
CID 113018093
N-[5-(4-acetamidoanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113035182
N-[6-(2-methylanilino)-3-pyridinyl]cyclopropanecarboxamide
CID 113016079
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-[5-(2-cyanoanilino)-2-pyridinyl]cyclohexanecarboxamide
CID 113037041
N-[5-(2,6-dichloroanilino)-2-pyridinyl]cyclopropanecarboxamide
CID 113036819
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-propan-2-ylurea
CID 113018099

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide (CID 113032896) is N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide is CC(C)(C)c1ccccc1Nc1ccc(NC(=O)C2CC2)nc1.
What is the InChIKey of N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is MXDLPNMESPLXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-19(2,3)15-6-4-5-7-16(15)21-14-10-11-17(20-12-14)22-18(23)13-8-9-13/h4-7,10-13,21H,8-9H2,1-3H3,(H,20,22,23).
What are the key properties of N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide?
N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-tert-butylanilino)-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 113032896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).