N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide

C30H42ClN5O2 — CID 72711508

IUPACN-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C30H42ClN5O2/c1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6/h7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37)/t21?,25-/m0/s1
InChIKeyCOOGUPBOWLTOIX-QBGQUKIHSA-N
MW540.15 g/mol
LogP5.60
Rot. Bonds7

About N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide

N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide (PubChem CID 72711508) has the molecular formula C30H42ClN5O2 and a molecular weight of 540.15 g/mol. Its IUPAC name is N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide
PubChem CID72711508
Molecular FormulaC30H42ClN5O2
Molecular Weight540.15 g/mol
Exact Mass539.30
IUPAC NameN-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide
SMILESCc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C30H42ClN5O2/c1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6/h7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37)/t21?,25-/m0/s1
InChIKeyCOOGUPBOWLTOIX-QBGQUKIHSA-N
XLogP5.60
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.15
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide (CID 72711508) is N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide is Cc1cc(Cl)nc(C)c1C(=O)NCCC(C)N1CCC(N2C(=O)N(C(C)(C)C)C[C@H]2c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is COOGUPBOWLTOIX-QBGQUKIHSA-N. The full InChI is InChI=1S/C30H42ClN5O2/c1-20-18-26(31)33-22(3)27(20)28(37)32-15-12-21(2)34-16-13-24(14-17-34)36-25(23-10-8-7-9-11-23)19-35(29(36)38)30(4,5)6/h7-11,18,21,24-25H,12-17,19H2,1-6H3,(H,32,37)/t21?,25-/m0/s1.
What are the key properties of N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide?
N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 540.15 g/mol, XLogP of 5.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(5R)-3-tert-butyl-2-oxo-5-phenylimidazolidin-1-yl]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 72711508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).