(2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C20H18N6O2 — CID 139468772

IUPAC(2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3cnccc3CCO)nc(N)c2cn1
InChIInChI=1S/C20H18N6O2/c21-8-13-5-14(13)20(28)26-18-7-12-6-17(25-19(22)16(12)10-24-18)15-9-23-3-1-11(15)2-4-27/h1,3,6-7,9-10,13-14,27H,2,4-5H2,(H2,22,25)(H,24,26,28)/t13-,14?/m0/s1
InChIKeyJRTALDSLUDCCAL-LSLKUGRBSA-N
MW374.40 g/mol
LogP1.91
Rot. Bonds5

About (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

(2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 139468772) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID139468772
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name(2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESN#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3cnccc3CCO)nc(N)c2cn1
InChIInChI=1S/C20H18N6O2/c21-8-13-5-14(13)20(28)26-18-7-12-6-17(25-19(22)16(12)10-24-18)15-9-23-3-1-11(15)2-4-27/h1,3,6-7,9-10,13-14,27H,2,4-5H2,(H2,22,25)(H,24,26,28)/t13-,14?/m0/s1
InChIKeyJRTALDSLUDCCAL-LSLKUGRBSA-N
XLogP1.91
TPSA137.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 139468772) is (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is N#C[C@@H]1CC1C(=O)Nc1cc2cc(-c3cnccc3CCO)nc(N)c2cn1.
What is the InChIKey of (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is JRTALDSLUDCCAL-LSLKUGRBSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-8-13-5-14(13)20(28)26-18-7-12-6-17(25-19(22)16(12)10-24-18)15-9-23-3-1-11(15)2-4-27/h1,3,6-7,9-10,13-14,27H,2,4-5H2,(H2,22,25)(H,24,26,28)/t13-,14?/m0/s1.
What are the key properties of (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
(2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 139468772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).