N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

C19H24N6O3 — CID 118611090

IUPACN-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NCC(O)CN1CCc2ncccc2C1)c1cc(NC2COC2)ncn1
InChIInChI=1S/C19H24N6O3/c26-15(9-25-5-3-16-13(8-25)2-1-4-20-16)7-21-19(27)17-6-18(23-12-22-17)24-14-10-28-11-14/h1-2,4,6,12,14-15,26H,3,5,7-11H2,(H,21,27)(H,22,23,24)
InChIKeyNMZOGYAYCVCNCD-UHFFFAOYSA-N
MW384.44 g/mol
LogP-0.17
Rot. Bonds7

About N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide

N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (PubChem CID 118611090) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
PubChem CID118611090
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
SMILESO=C(NCC(O)CN1CCc2ncccc2C1)c1cc(NC2COC2)ncn1
InChIInChI=1S/C19H24N6O3/c26-15(9-25-5-3-16-13(8-25)2-1-4-20-16)7-21-19(27)17-6-18(23-12-22-17)24-14-10-28-11-14/h1-2,4,6,12,14-15,26H,3,5,7-11H2,(H,21,27)(H,22,23,24)
InChIKeyNMZOGYAYCVCNCD-UHFFFAOYSA-N
XLogP-0.17
TPSA112.50 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 90241674
N-[(2S)-3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylmethyl)pyrimidine-4-carboxamide
CID 162012287
N-[(2S)-2-hydroxy-3-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 130267611
6-(cyclohexylamino)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 139296800
6-(cyclobutylamino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide;methane
CID 161342900
N-[2-hydroxy-3-(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)propyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide
CID 118611302
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(3-hydroxycyclobutyl)amino]pyrimidine-4-carboxamide
CID 123172921
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(2-oxaspiro[3.3]heptan-6-ylamino)pyrimidine-4-carboxamide
CID 139297189
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[4-(methylamino)cyclohexyl]amino]pyrimidine-4-carboxamide
CID 123198420
6-[(4-acetamidocyclohexyl)amino]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]pyrimidine-4-carboxamide
CID 118553957
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(piperidin-4-ylamino)pyrimidine-4-carboxamide
CID 123775073
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[[3-(methylcarbamoyl)cyclobutyl]amino]pyrimidine-4-carboxamide
CID 123256687

Frequently Asked Questions

What is the IUPAC name of N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide (CID 118611090) is N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide is O=C(NCC(O)CN1CCc2ncccc2C1)c1cc(NC2COC2)ncn1.
What is the InChIKey of N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
The InChIKey is NMZOGYAYCVCNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c26-15(9-25-5-3-16-13(8-25)2-1-4-20-16)7-21-19(27)17-6-18(23-12-22-17)24-14-10-28-11-14/h1-2,4,6,12,14-15,26H,3,5,7-11H2,(H,21,27)(H,22,23,24).
What are the key properties of N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide?
N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide has a molecular weight of 384.44 g/mol, XLogP of -0.17, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-hydroxypropyl]-6-(oxetan-3-ylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 118611090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).