7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide

C19H30N4O — CID 97406128

IUPAC7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
SMILESCNC(=O)c1cc2c(nc1NCC(C)C)CCN(CC1CC1)CC2
InChIInChI=1S/C19H30N4O/c1-13(2)11-21-18-16(19(24)20-3)10-15-6-8-23(12-14-4-5-14)9-7-17(15)22-18/h10,13-14H,4-9,11-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyZKKSLJBDUFQFHZ-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.32
Rot. Bonds6

About 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide

7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide (PubChem CID 97406128) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
PubChem CID97406128
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide
SMILESCNC(=O)c1cc2c(nc1NCC(C)C)CCN(CC1CC1)CC2
InChIInChI=1S/C19H30N4O/c1-13(2)11-21-18-16(19(24)20-3)10-15-6-8-23(12-14-4-5-14)9-7-17(15)22-18/h10,13-14H,4-9,11-12H2,1-3H3,(H,20,24)(H,21,22)
InChIKeyZKKSLJBDUFQFHZ-UHFFFAOYSA-N
XLogP2.32
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide?
The IUPAC name of 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide (CID 97406128) is 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide.
What is the SMILES notation for 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide?
The canonical SMILES for 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide is CNC(=O)c1cc2c(nc1NCC(C)C)CCN(CC1CC1)CC2.
What is the InChIKey of 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide?
The InChIKey is ZKKSLJBDUFQFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-13(2)11-21-18-16(19(24)20-3)10-15-6-8-23(12-14-4-5-14)9-7-17(15)22-18/h10,13-14H,4-9,11-12H2,1-3H3,(H,20,24)(H,21,22).
What are the key properties of 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide?
7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide has a molecular weight of 330.48 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-N-methyl-2-(2-methylpropylamino)-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxamide is sourced from PubChem (CID 97406128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).