1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea

C18H22N6O — CID 144521336

IUPAC1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea
SMILES[H]/N=C/C(=C\N)c1cnc2ccc(NC(=O)NCC3CCCC3)nc2c1
InChIInChI=1S/C18H22N6O/c19-8-14(9-20)13-7-16-15(21-11-13)5-6-17(23-16)24-18(25)22-10-12-3-1-2-4-12/h5-9,11-12,19H,1-4,10,20H2,(H2,22,23,24,25)/b14-9+,19-8+
InChIKeyNKCWQPWNEBWVNO-VHVFTYPWSA-N
MW338.41 g/mol
LogP2.89
Rot. Bonds5

About 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea

1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea (PubChem CID 144521336) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea.

Molecular Properties

Compound Name1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea
PubChem CID144521336
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea
SMILES[H]/N=C/C(=C\N)c1cnc2ccc(NC(=O)NCC3CCCC3)nc2c1
InChIInChI=1S/C18H22N6O/c19-8-14(9-20)13-7-16-15(21-11-13)5-6-17(23-16)24-18(25)22-10-12-3-1-2-4-12/h5-9,11-12,19H,1-4,10,20H2,(H2,22,23,24,25)/b14-9+,19-8+
InChIKeyNKCWQPWNEBWVNO-VHVFTYPWSA-N
XLogP2.89
TPSA116.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea?
The IUPAC name of 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea (CID 144521336) is 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea.
What is the SMILES notation for 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea?
The canonical SMILES for 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea is [H]/N=C/C(=C\N)c1cnc2ccc(NC(=O)NCC3CCCC3)nc2c1.
What is the InChIKey of 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea?
The InChIKey is NKCWQPWNEBWVNO-VHVFTYPWSA-N. The full InChI is InChI=1S/C18H22N6O/c19-8-14(9-20)13-7-16-15(21-11-13)5-6-17(23-16)24-18(25)22-10-12-3-1-2-4-12/h5-9,11-12,19H,1-4,10,20H2,(H2,22,23,24,25)/b14-9+,19-8+.
What are the key properties of 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea?
1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea has a molecular weight of 338.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-1,5-naphthyridin-2-yl]-3-(cyclopentylmethyl)urea is sourced from PubChem (CID 144521336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).