N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide

C20H26N4O3 — CID 126429579

IUPACN-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCOc1ccc([C@H](NC(=O)NCCNC(=O)C(C)C)c2ccncc2)cc1
InChIInChI=1S/C20H26N4O3/c1-14(2)19(25)22-12-13-23-20(26)24-18(16-8-10-21-11-9-16)15-4-6-17(27-3)7-5-15/h4-11,14,18H,12-13H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m0/s1
InChIKeyVCKHTVQYEBXVTJ-SFHVURJKSA-N
MW370.45 g/mol
LogP2.25
Rot. Bonds8

About N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide

N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide (PubChem CID 126429579) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
PubChem CID126429579
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC NameN-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
SMILESCOc1ccc([C@H](NC(=O)NCCNC(=O)C(C)C)c2ccncc2)cc1
InChIInChI=1S/C20H26N4O3/c1-14(2)19(25)22-12-13-23-20(26)24-18(16-8-10-21-11-9-16)15-4-6-17(27-3)7-5-15/h4-11,14,18H,12-13H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m0/s1
InChIKeyVCKHTVQYEBXVTJ-SFHVURJKSA-N
XLogP2.25
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-3-(1-methylcyclobutyl)urea
CID 126423150
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylpropanamide
CID 46419913
1-benzyl-3-[bis(4-methoxyphenyl)methyl]urea
CID 38273727
N-[2-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 119064075
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
4,4-difluoro-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]piperidine-1-carboxamide
CID 121498449
1-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-3-propylurea
CID 100748636
1-[(2R)-2-hydroxypropyl]-3-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea
CID 94027654
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96575078

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide (CID 126429579) is N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide is COc1ccc([C@H](NC(=O)NCCNC(=O)C(C)C)c2ccncc2)cc1.
What is the InChIKey of N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide?
The InChIKey is VCKHTVQYEBXVTJ-SFHVURJKSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-14(2)19(25)22-12-13-23-20(26)24-18(16-8-10-21-11-9-16)15-4-6-17(27-3)7-5-15/h4-11,14,18H,12-13H2,1-3H3,(H,22,25)(H2,23,24,26)/t18-/m0/s1.
What are the key properties of N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide?
N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide has a molecular weight of 370.45 g/mol, XLogP of 2.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide is sourced from PubChem (CID 126429579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).