N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide

C26H29N3O2 — CID 1059167

IUPACN-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCC1
InChIInChI=1S/C26H29N3O2/c1-3-18(2)27-26(31)23-17-22(12-13-24(23)29-14-6-7-15-29)28-25(30)21-11-10-19-8-4-5-9-20(19)16-21/h4-5,8-13,16-18H,3,6-7,14-15H2,1-2H3,(H,27,31)(H,28,30)/t18-/m1/s1
InChIKeyHNUXHLJDRUCNGP-GOSISDBHSA-N
MW415.54 g/mol
LogP5.22
Rot. Bonds6

About N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide

N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide (PubChem CID 1059167) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
PubChem CID1059167
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCC1
InChIInChI=1S/C26H29N3O2/c1-3-18(2)27-26(31)23-17-22(12-13-24(23)29-14-6-7-15-29)28-25(30)21-11-10-19-8-4-5-9-20(19)16-21/h4-5,8-13,16-18H,3,6-7,14-15H2,1-2H3,(H,27,31)(H,28,30)/t18-/m1/s1
InChIKeyHNUXHLJDRUCNGP-GOSISDBHSA-N
XLogP5.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-butan-2-yl]-5-[(4-tert-butylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 7356635
N-[(2R)-butan-2-yl]-5-[(4-ethylbenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059189
5-[(4-bromobenzoyl)amino]-N-butan-2-yl-2-pyrrolidin-1-ylbenzamide
CID 5219659
N-butan-2-yl-5-[(3-methoxybenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3430014
N-[3-[[(2S)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-1,3-benzodioxole-5-carboxamide
CID 1059186
N-[(2R)-butan-2-yl]-5-[(3-nitrobenzoyl)amino]-2-pyrrolidin-1-ylbenzamide
CID 1059138
N-butan-2-yl-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 3483776
N-[(2S)-butan-2-yl]-5-[(4-butylbenzoyl)amino]-2-piperidin-1-ylbenzamide
CID 7214649
N-butan-2-yl-5-[(4-methoxyphenyl)carbamoylamino]-2-pyrrolidin-1-ylbenzamide
CID 42756297
N-[(2S)-butan-2-yl]-5-(dimethylcarbamoylamino)-2-pyrrolidin-1-ylbenzamide
CID 771510
N-butan-2-yl-5-(cyclopropanecarbonylamino)-2-pyrrolidin-1-ylbenzamide
CID 42755696
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]-2,6-dimethoxybenzamide
CID 1059204

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide (CID 1059167) is N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide is CC[C@@H](C)NC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1N1CCCC1.
What is the InChIKey of N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide?
The InChIKey is HNUXHLJDRUCNGP-GOSISDBHSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-3-18(2)27-26(31)23-17-22(12-13-24(23)29-14-6-7-15-29)28-25(30)21-11-10-19-8-4-5-9-20(19)16-21/h4-5,8-13,16-18H,3,6-7,14-15H2,1-2H3,(H,27,31)(H,28,30)/t18-/m1/s1.
What are the key properties of N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide?
N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R)-butan-2-yl]carbamoyl]-4-pyrrolidin-1-ylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 1059167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).