cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C18H22FN5O — CID 139469021

IUPACcis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCC1CCCN1c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1
InChIInChI=1S/C18H22FN5O/c1-2-11-4-3-5-24(11)16-7-10-6-15(21-9-13(10)17(20)23-16)22-18(25)12-8-14(12)19/h6-7,9,11-12,14H,2-5,8H2,1H3,(H2,20,23)(H,21,22,25)/t11?,12-,14+/m0/s1
InChIKeyMNVHCPCBMBGPMF-VBVNFKHJSA-N
MW343.41 g/mol
LogP2.89
Rot. Bonds4

About cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 139469021) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
PubChem CID139469021
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Namecis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
SMILESCCC1CCCN1c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1
InChIInChI=1S/C18H22FN5O/c1-2-11-4-3-5-24(11)16-7-10-6-15(21-9-13(10)17(20)23-16)22-18(25)12-8-14(12)19/h6-7,9,11-12,14H,2-5,8H2,1H3,(H2,20,23)(H,21,22,25)/t11?,12-,14+/m0/s1
InChIKeyMNVHCPCBMBGPMF-VBVNFKHJSA-N
XLogP2.89
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 139469021) is cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is CCC1CCCN1c1cc2cc(NC(=O)[C@H]3C[C@H]3F)ncc2c(N)n1.
What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
The InChIKey is MNVHCPCBMBGPMF-VBVNFKHJSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-2-11-4-3-5-24(11)16-7-10-6-15(21-9-13(10)17(20)23-16)22-18(25)12-8-14(12)19/h6-7,9,11-12,14H,2-5,8H2,1H3,(H2,20,23)(H,21,22,25)/t11?,12-,14+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[8-amino-6-(2-ethylpyrrolidin-1-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 139469021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).