N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide

C33H40N4O2 — CID 121438772

IUPACN-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC4)cc3)cn2)CC1
InChIInChI=1S/C33H40N4O2/c1-32(2,3)31(39)36-26-15-9-22(10-16-26)19-30(38)37-29-20-27(23-7-5-4-6-8-23)28(21-35-29)24-11-13-25(14-12-24)33(34)17-18-33/h4-8,11-14,20-22,26H,9-10,15-19,34H2,1-3H3,(H,36,39)(H,35,37,38)
InChIKeyHISPOEHOPHFSSL-UHFFFAOYSA-N
MW524.71 g/mol
LogP6.41
Rot. Bonds7

About N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide

N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide (PubChem CID 121438772) has the molecular formula C33H40N4O2 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide
PubChem CID121438772
Molecular FormulaC33H40N4O2
Molecular Weight524.71 g/mol
Exact Mass524.32
IUPAC NameN-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC4)cc3)cn2)CC1
InChIInChI=1S/C33H40N4O2/c1-32(2,3)31(39)36-26-15-9-22(10-16-26)19-30(38)37-29-20-27(23-7-5-4-6-8-23)28(21-35-29)24-11-13-25(14-12-24)33(34)17-18-33/h4-8,11-14,20-22,26H,9-10,15-19,34H2,1-3H3,(H,36,39)(H,35,37,38)
InChIKeyHISPOEHOPHFSSL-UHFFFAOYSA-N
XLogP6.41
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 6612586
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CID 46927726
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CID 669449
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CID 4450213
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CID 168291421
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CID 838086
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CID 2852795
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CID 9119219
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide (CID 121438772) is N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCC(CC(=O)Nc2cc(-c3ccccc3)c(-c3ccc(C4(N)CC4)cc3)cn2)CC1.
What is the InChIKey of N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide?
The InChIKey is HISPOEHOPHFSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O2/c1-32(2,3)31(39)36-26-15-9-22(10-16-26)19-30(38)37-29-20-27(23-7-5-4-6-8-23)28(21-35-29)24-11-13-25(14-12-24)33(34)17-18-33/h4-8,11-14,20-22,26H,9-10,15-19,34H2,1-3H3,(H,36,39)(H,35,37,38).
What are the key properties of N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide?
N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide has a molecular weight of 524.71 g/mol, XLogP of 6.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[5-[4-(1-aminocyclopropyl)phenyl]-4-phenyl-2-pyridinyl]amino]-2-oxoethyl]cyclohexyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121438772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).