N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide

C18H21ClN4O2 — CID 139347791

IUPACN-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)C(N)=O)ccn1
InChIInChI=1S/C18H21ClN4O2/c1-18(2,3)22-16(24)15-10-14(8-9-21-15)23(17(20)25)11-12-4-6-13(19)7-5-12/h4-10H,11H2,1-3H3,(H2,20,25)(H,22,24)
InChIKeyHRMQSBGQMKWAKP-UHFFFAOYSA-N
MW360.85 g/mol
LogP3.35
Rot. Bonds4

About N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide

N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide (PubChem CID 139347791) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide
PubChem CID139347791
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)C(N)=O)ccn1
InChIInChI=1S/C18H21ClN4O2/c1-18(2,3)22-16(24)15-10-14(8-9-21-15)23(17(20)25)11-12-4-6-13(19)7-5-12/h4-10H,11H2,1-3H3,(H2,20,25)(H,22,24)
InChIKeyHRMQSBGQMKWAKP-UHFFFAOYSA-N
XLogP3.35
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide (CID 139347791) is N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(N(Cc2ccc(Cl)cc2)C(N)=O)ccn1.
What is the InChIKey of N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide?
The InChIKey is HRMQSBGQMKWAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-18(2,3)22-16(24)15-10-14(8-9-21-15)23(17(20)25)11-12-4-6-13(19)7-5-12/h4-10H,11H2,1-3H3,(H2,20,25)(H,22,24).
What are the key properties of N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide?
N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide has a molecular weight of 360.85 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[carbamoyl-[(4-chlorophenyl)methyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 139347791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).