2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol

C21H31N5O — CID 175339483

IUPAC2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1cc(N)nc2cc(C3=CCN(C)CC3)cnc12
InChIInChI=1S/C21H31N5O/c1-4-5-8-21(2,14-27)25-18-12-19(22)24-17-11-16(13-23-20(17)18)15-6-9-26(3)10-7-15/h6,11-13,27H,4-5,7-10,14H2,1-3H3,(H3,22,24,25)
InChIKeyLWXYWCCVDMOBSQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.28
Rot. Bonds7

About 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol

2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol (PubChem CID 175339483) has the molecular formula C21H31N5O and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol.

Molecular Properties

Compound Name2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
PubChem CID175339483
Molecular FormulaC21H31N5O
Molecular Weight369.51 g/mol
Exact Mass369.25
IUPAC Name2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
SMILESCCCCC(C)(CO)Nc1cc(N)nc2cc(C3=CCN(C)CC3)cnc12
InChIInChI=1S/C21H31N5O/c1-4-5-8-21(2,14-27)25-18-12-19(22)24-17-11-16(13-23-20(17)18)15-6-9-26(3)10-7-15/h6,11-13,27H,4-5,7-10,14H2,1-3H3,(H3,22,24,25)
InChIKeyLWXYWCCVDMOBSQ-UHFFFAOYSA-N
XLogP3.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[[2-amino-7-[2-(diethylamino)pyrimidin-5-yl]-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol
CID 162680433
2-[[2-[(2,4-dimethoxyphenyl)methylamino]-7-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293388
2-[[2-amino-7-[2-[(4-methylpiperazin-1-yl)methyl]pyrimidin-5-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 146293364
4-N-(1-amino-2-methylhexan-2-yl)-1,5-naphthyridine-2,4-diamine
CID 171782266
(2R)-2-[[2-amino-7-[1-(difluoromethyl)pyrazol-4-yl]pyrido[3,2-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 178073861
[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-morpholin-4-ylmethanone
CID 166010273
N-[2-[(2-amino-1,5-naphthyridin-4-yl)amino]-2-methylhexyl]cyclopropanecarboxamide
CID 162680445
2-[[2-amino-7-[5-methyl-6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrido[4,3-d]pyrimidin-4-yl]amino]-2-methylhexan-1-ol
CID 170180938
4-[2-amino-4-[[(2R)-1-hydroxy-2-methylhexan-2-yl]amino]pyrido[3,2-d]pyrimidin-7-yl]-3-[(dimethylamino)methyl]-1H-pyridin-2-one
CID 178072054
4-butyl-3-methyl-11-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),4,7,10-pentaen-7-amine
CID 168966180
3-bromo-2-[(1S)-1-methoxyethyl]-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
CID 176804453
5-[6-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-3-pyridinyl]pyrazin-2-amine
CID 139409374

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
The IUPAC name of 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol (CID 175339483) is 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol.
What is the SMILES notation for 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
The canonical SMILES for 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol is CCCCC(C)(CO)Nc1cc(N)nc2cc(C3=CCN(C)CC3)cnc12.
What is the InChIKey of 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
The InChIKey is LWXYWCCVDMOBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O/c1-4-5-8-21(2,14-27)25-18-12-19(22)24-17-11-16(13-23-20(17)18)15-6-9-26(3)10-7-15/h6,11-13,27H,4-5,7-10,14H2,1-3H3,(H3,22,24,25).
What are the key properties of 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol?
2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol has a molecular weight of 369.51 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,5-naphthyridin-4-yl]amino]-2-methylhexan-1-ol is sourced from PubChem (CID 175339483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).