5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine

C18H23ClN4O — CID 58284620

IUPAC5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine
SMILESCC1(C)C[C@@H](CNc2cccc(-c3cc(N)ncc3Cl)n2)CCO1
InChIInChI=1S/C18H23ClN4O/c1-18(2)9-12(6-7-24-18)10-22-17-5-3-4-15(23-17)13-8-16(20)21-11-14(13)19/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H2,20,21)(H,22,23)/t12-/m0/s1
InChIKeyBYWMGYCGIPBRRP-LBPRGKRZSA-N
MW346.86 g/mol
LogP4.00
Rot. Bonds4

About 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine

5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine (PubChem CID 58284620) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine
PubChem CID58284620
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine
SMILESCC1(C)C[C@@H](CNc2cccc(-c3cc(N)ncc3Cl)n2)CCO1
InChIInChI=1S/C18H23ClN4O/c1-18(2)9-12(6-7-24-18)10-22-17-5-3-4-15(23-17)13-8-16(20)21-11-14(13)19/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H2,20,21)(H,22,23)/t12-/m0/s1
InChIKeyBYWMGYCGIPBRRP-LBPRGKRZSA-N
XLogP4.00
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine (CID 58284620) is 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine is CC1(C)C[C@@H](CNc2cccc(-c3cc(N)ncc3Cl)n2)CCO1.
What is the InChIKey of 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine?
The InChIKey is BYWMGYCGIPBRRP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-18(2)9-12(6-7-24-18)10-22-17-5-3-4-15(23-17)13-8-16(20)21-11-14(13)19/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H2,20,21)(H,22,23)/t12-/m0/s1.
What are the key properties of 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine?
5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine has a molecular weight of 346.86 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[6-[[(4S)-2,2-dimethyloxan-4-yl]methylamino]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 58284620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).