1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide

C14H22N4O — CID 97469092

IUPAC1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C14H22N4O/c1-10(2)15-14(19)18-8-7-17(4)13-12(9-18)6-5-11(3)16-13/h5-6,10H,7-9H2,1-4H3,(H,15,19)
InChIKeyOSTYWKKWQASNAY-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.76
Rot. Bonds1

About 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide

1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide (PubChem CID 97469092) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide.

Molecular Properties

Compound Name1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
PubChem CID97469092
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide
SMILESCc1ccc2c(n1)N(C)CCN(C(=O)NC(C)C)C2
InChIInChI=1S/C14H22N4O/c1-10(2)15-14(19)18-8-7-17(4)13-12(9-18)6-5-11(3)16-13/h5-6,10H,7-9H2,1-4H3,(H,15,19)
InChIKeyOSTYWKKWQASNAY-UHFFFAOYSA-N
XLogP1.76
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The IUPAC name of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide (CID 97469092) is 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide.
What is the SMILES notation for 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The canonical SMILES for 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide is Cc1ccc2c(n1)N(C)CCN(C(=O)NC(C)C)C2.
What is the InChIKey of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
The InChIKey is OSTYWKKWQASNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)15-14(19)18-8-7-17(4)13-12(9-18)6-5-11(3)16-13/h5-6,10H,7-9H2,1-4H3,(H,15,19).
What are the key properties of 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide?
1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide has a molecular weight of 262.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-N-propan-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine-4-carboxamide is sourced from PubChem (CID 97469092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).