7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile

C18H24N6 — CID 168932378

IUPAC7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile
SMILESCC(C)(C)Nc1nc(C#N)cc2cnc(N[C@H]3CC[C@H](N)C3)cc12
InChIInChI=1S/C18H24N6/c1-18(2,3)24-17-15-8-16(22-13-5-4-12(20)7-13)21-10-11(15)6-14(9-19)23-17/h6,8,10,12-13H,4-5,7,20H2,1-3H3,(H,21,22)(H,23,24)/t12-,13-/m0/s1
InChIKeyUVADRGXSYMEZKD-STQMWFEESA-N
MW324.43 g/mol
LogP3.00
Rot. Bonds3

About 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile

7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile (PubChem CID 168932378) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile
PubChem CID168932378
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile
SMILESCC(C)(C)Nc1nc(C#N)cc2cnc(N[C@H]3CC[C@H](N)C3)cc12
InChIInChI=1S/C18H24N6/c1-18(2,3)24-17-15-8-16(22-13-5-4-12(20)7-13)21-10-11(15)6-14(9-19)23-17/h6,8,10,12-13H,4-5,7,20H2,1-3H3,(H,21,22)(H,23,24)/t12-,13-/m0/s1
InChIKeyUVADRGXSYMEZKD-STQMWFEESA-N
XLogP3.00
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

1-[(1-methylcyclopropyl)amino]-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932347
7-[[(1S,2R)-2-hydroxycyclohexyl]amino]-1-(propan-2-ylamino)-2,6-naphthyridine-3-carbonitrile
CID 168932064
tert-butyl N-[3-[[7-cyano-5-(propan-2-ylamino)-2,6-naphthyridin-3-yl]amino]-1-methylcyclobutyl]carbamate
CID 170188357
2-[[(1R,3R)-3-aminocyclopentyl]amino]-4,6-dimethylpyridine-3-carbonitrile
CID 56879008
1-(diethylamino)-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932072
5-[[5-[(3-aminocyclopentyl)amino]-6-(trifluoromethyl)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
CID 164598960
1-cyclopentyloxy-7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932275
3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
CID 171746116
7-[[(3S)-piperidin-3-yl]amino]-2,6-naphthyridine-3-carbonitrile
CID 168932124
2-[(4-aminocyclohexyl)amino]-6-methylpyridine-4-carbonitrile
CID 114768292
N-(7-cyano-5-pyrrolidin-1-yl-2,6-naphthyridin-3-yl)formamide
CID 170187936
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile
CID 178129218

Frequently Asked Questions

What is the IUPAC name of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile?
The IUPAC name of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile (CID 168932378) is 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile is CC(C)(C)Nc1nc(C#N)cc2cnc(N[C@H]3CC[C@H](N)C3)cc12.
What is the InChIKey of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile?
The InChIKey is UVADRGXSYMEZKD-STQMWFEESA-N. The full InChI is InChI=1S/C18H24N6/c1-18(2,3)24-17-15-8-16(22-13-5-4-12(20)7-13)21-10-11(15)6-14(9-19)23-17/h6,8,10,12-13H,4-5,7,20H2,1-3H3,(H,21,22)(H,23,24)/t12-,13-/m0/s1.
What are the key properties of 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile?
7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(1S,3S)-3-aminocyclopentyl]amino]-1-(tert-butylamino)-2,6-naphthyridine-3-carbonitrile is sourced from PubChem (CID 168932378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).