1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol

C18H22N4O — CID 171556070

IUPAC1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCCC(O)C1C=C(C)C(c2cnc3cc(NC)ncc3c2)=CN1
InChIInChI=1S/C18H22N4O/c1-4-17(23)16-5-11(2)14(10-21-16)12-6-13-9-22-18(19-3)7-15(13)20-8-12/h5-10,16-17,21,23H,4H2,1-3H3,(H,19,22)
InChIKeyPSSHBNCYBNVHIF-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.70
Rot. Bonds4

About 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol

1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol (PubChem CID 171556070) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol
PubChem CID171556070
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol
SMILESCCC(O)C1C=C(C)C(c2cnc3cc(NC)ncc3c2)=CN1
InChIInChI=1S/C18H22N4O/c1-4-17(23)16-5-11(2)14(10-21-16)12-6-13-9-22-18(19-3)7-15(13)20-8-12/h5-10,16-17,21,23H,4H2,1-3H3,(H,19,22)
InChIKeyPSSHBNCYBNVHIF-UHFFFAOYSA-N
XLogP2.70
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-methyl-5-(1H-pyrrolo[2,3-h][1,6]naphthyridin-3-yl)-1,2-dihydropyridin-2-yl]propan-1-ol
CID 171556030
N-[7-[2-(1-hydroxybutyl)-4-methyl-1,2-dihydropyridin-5-yl]-5-methyl-2,6-naphthyridin-3-yl]acetamide
CID 171555093
CID 171556276
CID 171556276
N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]-6,7-dihydro-4H-pyrano[3,4-d][1,2]oxazole-3-carboxamide
CID 167511498
3-(difluoromethyl)-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]benzamide
CID 167511649
N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4-[2,2,2-trifluoro-1-(methylamino)ethyl]pyridine-2-carboxamide
CID 167511653
cis-(1S,2S)-2-fluoro-N-[3-[6-[(1R)-1-hydroxybutyl]-4-methyl-3-pyridinyl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555547
7-amino-N-methyl-3-(4-methyl-2-propanoyl-1,2-dihydropyridin-5-yl)-1,6-naphthyridine-2-carboxamide
CID 171555792
2-(difluoromethyl)-3-methoxy-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-4-carboxamide
CID 167511866
1-fluoro-3-[7-[6-(methylamino)-3-pyridinyl]quinolin-3-yl]oxypropan-2-ol
CID 178090534
5-methyl-N-[4-methyl-3-[7-(methylamino)-1,6-naphthyridin-3-yl]phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167511772
2-[[(2S)-1,1-difluoropropan-2-yl]amino]-N-[6-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-3-pyridinyl]pyridine-3-carboxamide
CID 167511541

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol?
The IUPAC name of 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol (CID 171556070) is 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol.
What is the SMILES notation for 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol?
The canonical SMILES for 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol is CCC(O)C1C=C(C)C(c2cnc3cc(NC)ncc3c2)=CN1.
What is the InChIKey of 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol?
The InChIKey is PSSHBNCYBNVHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-17(23)16-5-11(2)14(10-21-16)12-6-13-9-22-18(19-3)7-15(13)20-8-12/h5-10,16-17,21,23H,4H2,1-3H3,(H,19,22).
What are the key properties of 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol?
1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol has a molecular weight of 310.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[7-(methylamino)-1,6-naphthyridin-3-yl]-1,2-dihydropyridin-2-yl]propan-1-ol is sourced from PubChem (CID 171556070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).