[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid

C17H16ClN5O3 — CID 135378396

IUPAC[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid
SMILESC[C@H](Nc1cc(N(C)C(=O)O)ccn1)c1cc2cc(Cl)cnc2[nH]c1=O
InChIInChI=1S/C17H16ClN5O3/c1-9(21-14-7-12(3-4-19-14)23(2)17(25)26)13-6-10-5-11(18)8-20-15(10)22-16(13)24/h3-9H,1-2H3,(H,19,21)(H,25,26)(H,20,22,24)/t9-/m0/s1
InChIKeyQDGXVYCWRNBGCD-VIFPVBQESA-N
MW373.80 g/mol
LogP3.26
Rot. Bonds4

About [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid

[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid (PubChem CID 135378396) has the molecular formula C17H16ClN5O3 and a molecular weight of 373.80 g/mol. Its IUPAC name is [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid
PubChem CID135378396
Molecular FormulaC17H16ClN5O3
Molecular Weight373.80 g/mol
Exact Mass373.09
IUPAC Name[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid
SMILESC[C@H](Nc1cc(N(C)C(=O)O)ccn1)c1cc2cc(Cl)cnc2[nH]c1=O
InChIInChI=1S/C17H16ClN5O3/c1-9(21-14-7-12(3-4-19-14)23(2)17(25)26)13-6-10-5-11(18)8-20-15(10)22-16(13)24/h3-9H,1-2H3,(H,19,21)(H,25,26)(H,20,22,24)/t9-/m0/s1
InChIKeyQDGXVYCWRNBGCD-VIFPVBQESA-N
XLogP3.26
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-1,8-naphthyridin-2-one
CID 134364005
6-chloro-3-[(1S)-1-[[4-(4-methylthiophen-3-yl)-2-pyridinyl]amino]ethyl]-1H-1,8-naphthyridin-2-one
CID 118956109
3-[1-[(4-bromo-2-pyridinyl)amino]ethyl]-6-chloro-1H-quinolin-2-one
CID 118956163
[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]carbamic acid
CID 135378497
N-[2-[[(1S)-1-(6-chloro-8-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]acetamide
CID 118956139
N-[2-[[(1S)-1-(6-chloro-7-fluoro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-N-(2-methylpropyl)methanesulfonamide
CID 118956082
N-[3-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]phenyl]-N-(2-methylpropyl)methanesulfonamide
CID 118955659
3-[2-[[(1S)-1-(6-chloro-2-oxo-1H-quinolin-3-yl)ethyl]amino]-4-pyridinyl]-2,2-dimethyl-1,3-oxazolidin-4-one
CID 118967535
6-chloro-3-[1-[(4-imidazol-1-yl-2-pyridinyl)amino]ethyl]-7-methoxy-1H-quinolin-2-one
CID 134364024
[3-[[(1S)-1-(6-chloro-2-oxo-7-propan-2-yloxy-1H-quinolin-3-yl)ethyl]amino]phenyl]-methylcarbamic acid
CID 135377920
6-chloro-3-[1-[[4-[2-(2-methylpropyl)pyrazol-3-yl]-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 134364006
6-chloro-8-fluoro-3-[(1S)-1-[[4-(1,2-oxazol-4-yl)-2-pyridinyl]amino]ethyl]-1H-quinolin-2-one
CID 118956175

Frequently Asked Questions

What is the IUPAC name of [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid?
The IUPAC name of [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid (CID 135378396) is [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid.
What is the SMILES notation for [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid?
The canonical SMILES for [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid is C[C@H](Nc1cc(N(C)C(=O)O)ccn1)c1cc2cc(Cl)cnc2[nH]c1=O.
What is the InChIKey of [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid?
The InChIKey is QDGXVYCWRNBGCD-VIFPVBQESA-N. The full InChI is InChI=1S/C17H16ClN5O3/c1-9(21-14-7-12(3-4-19-14)23(2)17(25)26)13-6-10-5-11(18)8-20-15(10)22-16(13)24/h3-9H,1-2H3,(H,19,21)(H,25,26)(H,20,22,24)/t9-/m0/s1.
What are the key properties of [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid?
[2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid has a molecular weight of 373.80 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1S)-1-(6-chloro-2-oxo-1H-1,8-naphthyridin-3-yl)ethyl]amino]-4-pyridinyl]-methylcarbamic acid is sourced from PubChem (CID 135378396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).