6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C15H16N6O2 — CID 86305373

IUPAC6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C15H16N6O2/c16-14(22)20-12-5-11(6-18-8-12)10-4-9-2-1-3-21(15(17)23)13(9)19-7-10/h4-8H,1-3H2,(H2,17,23)(H3,16,20,22)
InChIKeyVBKIXBWWLZKIHU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.47
Rot. Bonds2

About 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 86305373) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID86305373
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESNC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1
InChIInChI=1S/C15H16N6O2/c16-14(22)20-12-5-11(6-18-8-12)10-4-9-2-1-3-21(15(17)23)13(9)19-7-10/h4-8H,1-3H2,(H2,17,23)(H3,16,20,22)
InChIKeyVBKIXBWWLZKIHU-UHFFFAOYSA-N
XLogP1.47
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 86305373) is 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is NC(=O)Nc1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1.
What is the InChIKey of 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is VBKIXBWWLZKIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c16-14(22)20-12-5-11(6-18-8-12)10-4-9-2-1-3-21(15(17)23)13(9)19-7-10/h4-8H,1-3H2,(H2,17,23)(H3,16,20,22).
What are the key properties of 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(carbamoylamino)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 86305373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).