N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide

C20H27N3O — CID 113021698

IUPACN-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C20H27N3O/c1-6-19(24)22-15-10-11-18(21-12-15)23-20-16(13(2)3)8-7-9-17(20)14(4)5/h7-14H,6H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyGDACMADSIZLMPN-UHFFFAOYSA-N
MW325.46 g/mol
LogP5.42
Rot. Bonds6

About N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide

N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide (PubChem CID 113021698) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
PubChem CID113021698
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1
InChIInChI=1S/C20H27N3O/c1-6-19(24)22-15-10-11-18(21-12-15)23-20-16(13(2)3)8-7-9-17(20)14(4)5/h7-14H,6H2,1-5H3,(H,21,23)(H,22,24)
InChIKeyGDACMADSIZLMPN-UHFFFAOYSA-N
XLogP5.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.46
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]carbamate
CID 113021705
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]cyclopropanecarboxamide
CID 113021701
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002
methyl N-[5-[2,6-di(propan-2-yl)anilino]-2-pyridinyl]carbamate
CID 113036278
N-[6-(4-fluoroanilino)-3-pyridinyl]propanamide
CID 113018289
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
N-[5-(2-methyl-6-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032871
N-[6-(2,3-dichloroanilino)-3-pyridinyl]propanamide
CID 113022413
N-[6-(3-methoxyanilino)-3-pyridinyl]propanamide
CID 113019375
1-cyclopropyl-3-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]urea
CID 113018035
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[6-(quinolin-8-ylamino)-3-pyridinyl]propanamide
CID 113021717

Frequently Asked Questions

What is the IUPAC name of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide?
The IUPAC name of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide (CID 113021698) is N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide.
What is the SMILES notation for N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide?
The canonical SMILES for N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(Nc2c(C(C)C)cccc2C(C)C)nc1.
What is the InChIKey of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide?
The InChIKey is GDACMADSIZLMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-6-19(24)22-15-10-11-18(21-12-15)23-20-16(13(2)3)8-7-9-17(20)14(4)5/h7-14H,6H2,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide?
N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide has a molecular weight of 325.46 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2,6-di(propan-2-yl)anilino]-3-pyridinyl]propanamide is sourced from PubChem (CID 113021698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).