cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C18H16FN5O2 — CID 135344648

IUPACcis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cnccc2CO)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C18H16FN5O2/c19-14-5-11(14)18(26)24-16-4-10-3-15(23-17(20)13(10)7-22-16)12-6-21-2-1-9(12)8-25/h1-4,6-7,11,14,25H,5,8H2,(H2,20,23)(H,22,24,26)/t11-,14+/m1/s1
InChIKeyQHRXZJDMXKPGIW-RISCZKNCSA-N
MW353.36 g/mol
LogP2.06
Rot. Bonds4

About cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 135344648) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID135344648
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Namecis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESNc1nc(-c2cnccc2CO)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
InChIInChI=1S/C18H16FN5O2/c19-14-5-11(14)18(26)24-16-4-10-3-15(23-17(20)13(10)7-22-16)12-6-21-2-1-9(12)8-25/h1-4,6-7,11,14,25H,5,8H2,(H2,20,23)(H,22,24,26)/t11-,14+/m1/s1
InChIKeyQHRXZJDMXKPGIW-RISCZKNCSA-N
XLogP2.06
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 135344648) is cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is Nc1nc(-c2cnccc2CO)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.
What is the InChIKey of cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is QHRXZJDMXKPGIW-RISCZKNCSA-N. The full InChI is InChI=1S/C18H16FN5O2/c19-14-5-11(14)18(26)24-16-4-10-3-15(23-17(20)13(10)7-22-16)12-6-21-2-1-9(12)8-25/h1-4,6-7,11,14,25H,5,8H2,(H2,20,23)(H,22,24,26)/t11-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 353.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-N-[8-amino-6-[4-(hydroxymethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 135344648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).