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

C19H24N4O2 — CID 155286011

IUPACN-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N(CCc2ccccc2)C(N)=O)ccn1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)22-17(24)16-13-15(9-11-21-16)23(18(20)25)12-10-14-7-5-4-6-8-14/h4-9,11,13H,10,12H2,1-3H3,(H2,20,25)(H,22,24)
InChIKeyOBRCSONIUCQWDC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.74
Rot. Bonds5

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

N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide (PubChem CID 155286011) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide
PubChem CID155286011
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide
SMILESCC(C)(C)NC(=O)c1cc(N(CCc2ccccc2)C(N)=O)ccn1
InChIInChI=1S/C19H24N4O2/c1-19(2,3)22-17(24)16-13-15(9-11-21-16)23(18(20)25)12-10-14-7-5-4-6-8-14/h4-9,11,13H,10,12H2,1-3H3,(H2,20,25)(H,22,24)
InChIKeyOBRCSONIUCQWDC-UHFFFAOYSA-N
XLogP2.74
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.74
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(2-phenylethyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide (CID 155286011) is N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide is CC(C)(C)NC(=O)c1cc(N(CCc2ccccc2)C(N)=O)ccn1.
What is the InChIKey of N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide?
The InChIKey is OBRCSONIUCQWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-19(2,3)22-17(24)16-13-15(9-11-21-16)23(18(20)25)12-10-14-7-5-4-6-8-14/h4-9,11,13H,10,12H2,1-3H3,(H2,20,25)(H,22,24).
What are the key properties of N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide?
N-tert-butyl-4-[carbamoyl(2-phenylethyl)amino]pyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.74, 5 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(2-phenylethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 155286011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).