4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide

C17H17N5O — CID 71061284

IUPAC4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12
InChIInChI=1S/C17H17N5O/c1-10(2)20-15-13-4-3-12(11-5-7-19-8-6-11)9-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
InChIKeyINDQWOOKLCAIBK-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.61
Rot. Bonds4

About 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide

4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide (PubChem CID 71061284) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide
PubChem CID71061284
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide
SMILESCC(C)Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12
InChIInChI=1S/C17H17N5O/c1-10(2)20-15-13-4-3-12(11-5-7-19-8-6-11)9-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21)
InChIKeyINDQWOOKLCAIBK-UHFFFAOYSA-N
XLogP2.61
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide?
The IUPAC name of 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide (CID 71061284) is 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide.
What is the SMILES notation for 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide?
The canonical SMILES for 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide is CC(C)Nc1c(C(N)=O)nnc2cc(-c3ccncc3)ccc12.
What is the InChIKey of 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide?
The InChIKey is INDQWOOKLCAIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-10(2)20-15-13-4-3-12(11-5-7-19-8-6-11)9-14(13)21-22-16(15)17(18)23/h3-10H,1-2H3,(H2,18,23)(H,20,21).
What are the key properties of 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide?
4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide has a molecular weight of 307.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-7-pyridin-4-ylcinnoline-3-carboxamide is sourced from PubChem (CID 71061284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).